Benzene and substituted derivatives
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2,5-Difluoro-7,7,8,8-tetracyanoquinodimethane 98.0+%, TCI America™
CAS: 73318-02-2 Molecular Formula: C12H2F2N4 Molecular Weight (g/mol): 240.173 InChI Key: PFSDYUVXXQTNMX-UHFFFAOYSA-N Synonym: 2,5-TCNQF2 PubChem CID: 5255840 IUPAC Name: 2-[4-(dicyanomethylidene)-2,5-difluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile SMILES: C1=C(C(=C(C#N)C#N)C=C(C1=C(C#N)C#N)F)F
| PubChem CID | 5255840 |
|---|---|
| CAS | 73318-02-2 |
| Molecular Weight (g/mol) | 240.173 |
| SMILES | C1=C(C(=C(C#N)C#N)C=C(C1=C(C#N)C#N)F)F |
| Synonym | 2,5-TCNQF2 |
| IUPAC Name | 2-[4-(dicyanomethylidene)-2,5-difluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile |
| InChI Key | PFSDYUVXXQTNMX-UHFFFAOYSA-N |
| Molecular Formula | C12H2F2N4 |
3-Fluoro-2-methylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 163517-61-1 Molecular Formula: C7H8BFO2 Molecular Weight (g/mol): 153.947 MDL Number: MFCD07368679 InChI Key: NYBIUWJUWTUGFV-UHFFFAOYSA-N Synonym: 3-fluoro-2-methylphenyl boronic acid,2-methyl-3-fluoro-phenylboronic acid,3-fluoro-2-methylbenzeneboronic acid,3-fluoro-o-tolylboronic acid,boronic acid, 3-fluoro-2-methylphenyl,boronic acid,b-3-fluoro-2-methylphenyl,3-fluoro-2-methyl-phenyl boronic acid,2-borono-6-fluorotoluene,acmc-1c5qk,2-methyl-3-fluorophenylboronic acid PubChem CID: 2783191 IUPAC Name: (3-fluoro-2-methylphenyl)boronic acid SMILES: B(C1=C(C(=CC=C1)F)C)(O)O
| PubChem CID | 2783191 |
|---|---|
| CAS | 163517-61-1 |
| Molecular Weight (g/mol) | 153.947 |
| MDL Number | MFCD07368679 |
| SMILES | B(C1=C(C(=CC=C1)F)C)(O)O |
| Synonym | 3-fluoro-2-methylphenyl boronic acid,2-methyl-3-fluoro-phenylboronic acid,3-fluoro-2-methylbenzeneboronic acid,3-fluoro-o-tolylboronic acid,boronic acid, 3-fluoro-2-methylphenyl,boronic acid,b-3-fluoro-2-methylphenyl,3-fluoro-2-methyl-phenyl boronic acid,2-borono-6-fluorotoluene,acmc-1c5qk,2-methyl-3-fluorophenylboronic acid |
| IUPAC Name | (3-fluoro-2-methylphenyl)boronic acid |
| InChI Key | NYBIUWJUWTUGFV-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO2 |
1-Chloro-2-fluorobenzene 98.0+%, TCI America™
CAS: 348-51-6 Molecular Formula: C6H4ClF Molecular Weight (g/mol): 130.55 MDL Number: MFCD00000533 InChI Key: ZCJAYDKWZAWMPR-UHFFFAOYSA-N Synonym: 2-chlorofluorobenzene,o-chlorofluorobenzene,benzene, 1-chloro-2-fluoro,o-fluorochlorobenzene,1-fluoro-2-chlorobenzene,1-chloro-2-fluoro-benzene,benzene, chlorofluoro,2-chloro-1-fluorobenzene,chlorofluorobenzene,2-fluorochlorobenzene PubChem CID: 9583 IUPAC Name: 1-chloro-2-fluorobenzene SMILES: FC1=CC=CC=C1Cl
| PubChem CID | 9583 |
|---|---|
| CAS | 348-51-6 |
| Molecular Weight (g/mol) | 130.55 |
| MDL Number | MFCD00000533 |
| SMILES | FC1=CC=CC=C1Cl |
| Synonym | 2-chlorofluorobenzene,o-chlorofluorobenzene,benzene, 1-chloro-2-fluoro,o-fluorochlorobenzene,1-fluoro-2-chlorobenzene,1-chloro-2-fluoro-benzene,benzene, chlorofluoro,2-chloro-1-fluorobenzene,chlorofluorobenzene,2-fluorochlorobenzene |
| IUPAC Name | 1-chloro-2-fluorobenzene |
| InChI Key | ZCJAYDKWZAWMPR-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClF |
trans,trans-4-(2,3-Difluoro-4-methylphenyl)-4'-ethylbicyclohexyl 98.0+%, TCI America™
CAS: 174350-08-4 Molecular Formula: C21H30F2 Molecular Weight (g/mol): 320.468 InChI Key: GDXLAJNVPUQWRF-UHFFFAOYSA-N PubChem CID: 22184030 IUPAC Name: 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene SMILES: CCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)C)F)F
| PubChem CID | 22184030 |
|---|---|
| CAS | 174350-08-4 |
| Molecular Weight (g/mol) | 320.468 |
| SMILES | CCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)C)F)F |
| IUPAC Name | 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene |
| InChI Key | GDXLAJNVPUQWRF-UHFFFAOYSA-N |
| Molecular Formula | C21H30F2 |
1-Bromo-2,5-bis(trifluoromethyl)benzene 87.0+%, TCI America™
CAS: 7617-93-8 Molecular Formula: C8H3BrF6 Molecular Weight (g/mol): 293.006 MDL Number: MFCD03094336 InChI Key: GFQNSGHVOFVTLC-UHFFFAOYSA-N Synonym: 2,5-bis trifluoromethyl bromobenzene,2-bromo-1,4-bis trifluoromethyl benzene,1-bromo-2,5-bis trifluoromethyl benzene,1,4-bis trifluoromethyl-2-bromobenzene,benzene, 2-bromo-1,4-bis trifluoromethyl,pubchem4264,acmc-1bisb,ksc495k7j,2,5-bis-trifluoromethylbromobenzene PubChem CID: 2734763 IUPAC Name: 2-bromo-1,4-bis(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)C(F)(F)F
| PubChem CID | 2734763 |
|---|---|
| CAS | 7617-93-8 |
| Molecular Weight (g/mol) | 293.006 |
| MDL Number | MFCD03094336 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Br)C(F)(F)F |
| Synonym | 2,5-bis trifluoromethyl bromobenzene,2-bromo-1,4-bis trifluoromethyl benzene,1-bromo-2,5-bis trifluoromethyl benzene,1,4-bis trifluoromethyl-2-bromobenzene,benzene, 2-bromo-1,4-bis trifluoromethyl,pubchem4264,acmc-1bisb,ksc495k7j,2,5-bis-trifluoromethylbromobenzene |
| IUPAC Name | 2-bromo-1,4-bis(trifluoromethyl)benzene |
| InChI Key | GFQNSGHVOFVTLC-UHFFFAOYSA-N |
| Molecular Formula | C8H3BrF6 |
2-(3-Trifluoromethylphenyl)ethylamine 96.0+%, TCI America™
CAS: 52516-30-0 Molecular Formula: C9H10F3N Molecular Weight (g/mol): 189.181 MDL Number: MFCD00040756 InChI Key: BPVYCXMGJPKOTQ-UHFFFAOYSA-N Synonym: 2-3-trifluoromethyl phenyl ethanamine,3-trifluoromethyl phenethylamine,2-3-trifluoromethylphenyl ethylamine,2-3-trifluoromethyl phenyl ethylamine,phenethylamine, m-trifluoromethyl,m-trifluoromethylphenethylamine,m-trifluoromethyl phenethylamine,benzeneethanamine, 3-trifluoromethyl,2-3-trifluoromethylphenyl-ethylamine PubChem CID: 104223 IUPAC Name: 2-[3-(trifluoromethyl)phenyl]ethanamine SMILES: C1=CC(=CC(=C1)C(F)(F)F)CCN
| PubChem CID | 104223 |
|---|---|
| CAS | 52516-30-0 |
| Molecular Weight (g/mol) | 189.181 |
| MDL Number | MFCD00040756 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CCN |
| Synonym | 2-3-trifluoromethyl phenyl ethanamine,3-trifluoromethyl phenethylamine,2-3-trifluoromethylphenyl ethylamine,2-3-trifluoromethyl phenyl ethylamine,phenethylamine, m-trifluoromethyl,m-trifluoromethylphenethylamine,m-trifluoromethyl phenethylamine,benzeneethanamine, 3-trifluoromethyl,2-3-trifluoromethylphenyl-ethylamine |
| IUPAC Name | 2-[3-(trifluoromethyl)phenyl]ethanamine |
| InChI Key | BPVYCXMGJPKOTQ-UHFFFAOYSA-N |
| Molecular Formula | C9H10F3N |
2,5-Bis(trifluoromethyl)benzoyl Chloride 98.0+%, TCI America™
CAS: 393-82-8 Molecular Formula: C9H3ClF6O Molecular Weight (g/mol): 276.562 MDL Number: MFCD00074997 InChI Key: LRJNPOCQOZWIGR-UHFFFAOYSA-N PubChem CID: 2737812 IUPAC Name: 2,5-bis(trifluoromethyl)benzoyl chloride SMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)Cl)C(F)(F)F
| PubChem CID | 2737812 |
|---|---|
| CAS | 393-82-8 |
| Molecular Weight (g/mol) | 276.562 |
| MDL Number | MFCD00074997 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)C(=O)Cl)C(F)(F)F |
| IUPAC Name | 2,5-bis(trifluoromethyl)benzoyl chloride |
| InChI Key | LRJNPOCQOZWIGR-UHFFFAOYSA-N |
| Molecular Formula | C9H3ClF6O |
2-Fluorobenzotrifluoride 98.0+%, TCI America™
CAS: 392-85-8 Molecular Formula: C7H4F4 Molecular Weight (g/mol): 164.103 MDL Number: MFCD00000374 InChI Key: BGVGHYOIWIALFF-UHFFFAOYSA-N Synonym: 2-fluorobenzotrifluoride,1-fluoro-2-trifluoromethyl benzene,o-fluorobenzotrifluoride,benzene, 1-fluoro-2-trifluoromethyl,alpha,alpha,alpha,2-tetrafluorotoluene,benzene, fluoro trifluoromethyl,o,alpha,alpha,alpha-tetrafluorotoluene,a,a,a,2-tetrafluorotoluene,alpha,alpha,alpha,ar-tetrafluorotoluene,2-trifluoromethyl fluorobenzene PubChem CID: 9807 IUPAC Name: 1-fluoro-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)F
| PubChem CID | 9807 |
|---|---|
| CAS | 392-85-8 |
| Molecular Weight (g/mol) | 164.103 |
| MDL Number | MFCD00000374 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)F |
| Synonym | 2-fluorobenzotrifluoride,1-fluoro-2-trifluoromethyl benzene,o-fluorobenzotrifluoride,benzene, 1-fluoro-2-trifluoromethyl,alpha,alpha,alpha,2-tetrafluorotoluene,benzene, fluoro trifluoromethyl,o,alpha,alpha,alpha-tetrafluorotoluene,a,a,a,2-tetrafluorotoluene,alpha,alpha,alpha,ar-tetrafluorotoluene,2-trifluoromethyl fluorobenzene |
| IUPAC Name | 1-fluoro-2-(trifluoromethyl)benzene |
| InChI Key | BGVGHYOIWIALFF-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4 |
Ritodrine Hydrochloride 98.0+%, TCI America™
CAS: 23239-51-2 Molecular Formula: C17H22ClNO3 Molecular Weight (g/mol): 323.82 MDL Number: MFCD01657514 InChI Key: IDLSITKDRVDKRV-XHXSRVRCSA-N Synonym: N-(4-Hydroxyphenethyl)-4-hydroxynorephedrine Hydrochloride PubChem CID: 46911860 IUPAC Name: hydrogen 4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol chloride SMILES: [H+].[Cl-].C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1
| PubChem CID | 46911860 |
|---|---|
| CAS | 23239-51-2 |
| Molecular Weight (g/mol) | 323.82 |
| MDL Number | MFCD01657514 |
| SMILES | [H+].[Cl-].C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1 |
| Synonym | N-(4-Hydroxyphenethyl)-4-hydroxynorephedrine Hydrochloride |
| IUPAC Name | hydrogen 4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol chloride |
| InChI Key | IDLSITKDRVDKRV-XHXSRVRCSA-N |
| Molecular Formula | C17H22ClNO3 |
4-tert-Butylbenzenethiol 97.0+%, TCI America™
CAS: 2396-68-1 Molecular Formula: C10H14S Molecular Weight (g/mol): 166.282 MDL Number: MFCD00022067 InChI Key: GNXBFFHXJDZGEK-UHFFFAOYSA-N Synonym: 4-tert-butylthiophenol,p-tert-butylthiophenol,benzenethiol, p-tert-butyl,p-tert-butylbenzenethiol,p-t-butylthiophenol,p-tert-butylphenyl mercaptan,benzenethiol, 4-1,1-dimethylethyl,benzenethiol, p-tert-butylthio,4-tert-butyl thiophenol,4-t-butylthiophenol PubChem CID: 75454 IUPAC Name: 4-tert-butylbenzenethiol SMILES: CC(C)(C)C1=CC=C(C=C1)S
| PubChem CID | 75454 |
|---|---|
| CAS | 2396-68-1 |
| Molecular Weight (g/mol) | 166.282 |
| MDL Number | MFCD00022067 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)S |
| Synonym | 4-tert-butylthiophenol,p-tert-butylthiophenol,benzenethiol, p-tert-butyl,p-tert-butylbenzenethiol,p-t-butylthiophenol,p-tert-butylphenyl mercaptan,benzenethiol, 4-1,1-dimethylethyl,benzenethiol, p-tert-butylthio,4-tert-butyl thiophenol,4-t-butylthiophenol |
| IUPAC Name | 4-tert-butylbenzenethiol |
| InChI Key | GNXBFFHXJDZGEK-UHFFFAOYSA-N |
| Molecular Formula | C10H14S |
2-Methyl-1-phenyl-2-propanol 98.0+%, TCI America™
CAS: 100-86-7 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00004465 InChI Key: RIWRBSMFKVOJMN-UHFFFAOYSA-N Synonym: 2-methyl-1-phenyl-2-propanol,benzyldimethylcarbinol,2-benzyl-2-propanol,phenyl-tert-butanol,dimethylbenzylcarbinol,dmbc,1,1-dimethylphenylethanol,1,1-dimethyl-2-phenylethanol,benzylpropyl alcohol,dimethyl benzyl carbinol PubChem CID: 7531 IUPAC Name: 2-methyl-1-phenylpropan-2-ol SMILES: CC(C)(CC1=CC=CC=C1)O
| PubChem CID | 7531 |
|---|---|
| CAS | 100-86-7 |
| Molecular Weight (g/mol) | 150.221 |
| MDL Number | MFCD00004465 |
| SMILES | CC(C)(CC1=CC=CC=C1)O |
| Synonym | 2-methyl-1-phenyl-2-propanol,benzyldimethylcarbinol,2-benzyl-2-propanol,phenyl-tert-butanol,dimethylbenzylcarbinol,dmbc,1,1-dimethylphenylethanol,1,1-dimethyl-2-phenylethanol,benzylpropyl alcohol,dimethyl benzyl carbinol |
| IUPAC Name | 2-methyl-1-phenylpropan-2-ol |
| InChI Key | RIWRBSMFKVOJMN-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
6-tert-Butyl-m-cresol 97.0+%, TCI America™
CAS: 88-60-8 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00002308 InChI Key: XOUQAVYLRNOXDO-UHFFFAOYSA-N Synonym: 6-tert-butyl-m-cresol,6-tert-butyl-3-methylphenol,2-tert-butyl-5-methylphenol,m-cresol, 6-tert-butyl,3-methyl-6-tert-butylphenol,phenol, 2-1,1-dimethylethyl-5-methyl,5-methyl-2-tert-butylphenol,unii-uxv32mj2ca,2-tert-butyl-5-methyl-phenol,6-t-butyl-m-cresol PubChem CID: 6937 IUPAC Name: 2-tert-butyl-5-methylphenol SMILES: CC1=CC(=C(C=C1)C(C)(C)C)O
| PubChem CID | 6937 |
|---|---|
| CAS | 88-60-8 |
| Molecular Weight (g/mol) | 164.248 |
| MDL Number | MFCD00002308 |
| SMILES | CC1=CC(=C(C=C1)C(C)(C)C)O |
| Synonym | 6-tert-butyl-m-cresol,6-tert-butyl-3-methylphenol,2-tert-butyl-5-methylphenol,m-cresol, 6-tert-butyl,3-methyl-6-tert-butylphenol,phenol, 2-1,1-dimethylethyl-5-methyl,5-methyl-2-tert-butylphenol,unii-uxv32mj2ca,2-tert-butyl-5-methyl-phenol,6-t-butyl-m-cresol |
| IUPAC Name | 2-tert-butyl-5-methylphenol |
| InChI Key | XOUQAVYLRNOXDO-UHFFFAOYSA-N |
| Molecular Formula | C11H16O |
2,6-Di-tert-butyl-4-hydroxymethylphenol 97.0+%, TCI America™
CAS: 88-26-6 Molecular Formula: C15H24O2 Molecular Weight (g/mol): 236.355 MDL Number: MFCD00017254 InChI Key: HNURKXXMYARGAY-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzyl alcohol,2,6-di-tert-butyl-4-hydroxymethyl phenol,2,6-di-tert-butyl-4-hydroxymethylphenol,bht alcohol,antioxidant 754,ionox 100,ionox 100 antioxidant,3,5-di-t-butyl-4-hydroxybenzyl alcohol,butylated hydroxymethylphenol,2,6-di-t-butyl-4-hydroxymethylphenol PubChem CID: 6929 IUPAC Name: 2,6-ditert-butyl-4-(hydroxymethyl)phenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO
| PubChem CID | 6929 |
|---|---|
| CAS | 88-26-6 |
| Molecular Weight (g/mol) | 236.355 |
| MDL Number | MFCD00017254 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO |
| Synonym | 3,5-di-tert-butyl-4-hydroxybenzyl alcohol,2,6-di-tert-butyl-4-hydroxymethyl phenol,2,6-di-tert-butyl-4-hydroxymethylphenol,bht alcohol,antioxidant 754,ionox 100,ionox 100 antioxidant,3,5-di-t-butyl-4-hydroxybenzyl alcohol,butylated hydroxymethylphenol,2,6-di-t-butyl-4-hydroxymethylphenol |
| IUPAC Name | 2,6-ditert-butyl-4-(hydroxymethyl)phenol |
| InChI Key | HNURKXXMYARGAY-UHFFFAOYSA-N |
| Molecular Formula | C15H24O2 |
1,4-Dipropylbenzene 97.0+%, TCI America™
CAS: 4815-57-0 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.276 MDL Number: MFCD03844789 InChI Key: PHUANMGFAOCUOQ-UHFFFAOYSA-N PubChem CID: 20958 IUPAC Name: 1,4-dipropylbenzene SMILES: CCCC1=CC=C(C=C1)CCC
| PubChem CID | 20958 |
|---|---|
| CAS | 4815-57-0 |
| Molecular Weight (g/mol) | 162.276 |
| MDL Number | MFCD03844789 |
| SMILES | CCCC1=CC=C(C=C1)CCC |
| IUPAC Name | 1,4-dipropylbenzene |
| InChI Key | PHUANMGFAOCUOQ-UHFFFAOYSA-N |
| Molecular Formula | C12H18 |
2,2'-Thiodiethylene Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] 98.0+%, TCI America™
CAS: 41484-35-9 Molecular Formula: C38H58O6S Molecular Weight (g/mol): 642.94 MDL Number: MFCD00059346 InChI Key: VFBJXXJYHWLXRM-UHFFFAOYSA-N PubChem CID: 64883 IUPAC Name: 2-[(2-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)sulfanyl]ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate SMILES: CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C
| PubChem CID | 64883 |
|---|---|
| CAS | 41484-35-9 |
| Molecular Weight (g/mol) | 642.94 |
| MDL Number | MFCD00059346 |
| SMILES | CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C |
| IUPAC Name | 2-[(2-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)sulfanyl]ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate |
| InChI Key | VFBJXXJYHWLXRM-UHFFFAOYSA-N |
| Molecular Formula | C38H58O6S |